Helpers for ACCESS workflow - run-config and post-summary

src/access/esmf_trace/__init__.py

@@ -9,11 +9,15 @@
     __version__ = version("esmf_trace")
 
 from access.esmf_trace.library import (
+    ACCESSPostSummaryConfigBuilder,
+    ACCESSRunConfigBuilder,
     post_summary_from_config,
     run_from_config,
 )
 
 __all__ = [
     "run_from_config",
     "post_summary_from_config",
+    "ACCESSRunConfigBuilder",
+    "ACCESSPostSummaryConfigBuilder",
 ]

src/access/esmf_trace/config.py

@@ -165,6 +165,8 @@ def _norm_path_or_none(v: str | Path | None) -> Path | None:
 # define overloads for type checking of load_yaml_config
 @overload
 def load_yaml_config(config_path: Path, kind: Literal["run"]) -> (DefaultSettings, list[RunSettings]): ...
+
+
 @overload
 def load_yaml_config(
     config_path: Path, kind: Literal["post-summary"]

src/access/esmf_trace/library.py

@@ -1,3 +1,4 @@
+import re
 from dataclasses import replace
 from pathlib import Path
 
@@ -53,3 +54,245 @@ def post_summary_from_config(
 
     out_path = str(save_json_path) if save_json_path is not None else None
     post_summary_from_yaml(defaults, runs, save_json_path=out_path)
+
+
+class ACCESSRunConfigBuilder:
+    """
+    Build an esmf-trace run-config dict for ACCESS-style workflows.
+    """
+
+    DEFAULT_SETTINGS: dict = {
+        "stream_prefix": "esmf_stream",
+        "xaxis_datetime": False,
+        "separate_plots": False,
+        "cmap": "tab10",
+        "renderer": "browser",
+        "show_html": False,
+    }
+
+    def __init__(
+        self,
+        branches: list[str],
+        post_base_path: str | Path,
+        exact_paths: list[Path],
+        model_component: str,
+        branch_pattern: re.Pattern[str] | None = None,
+        pets_components: list[str] | None = None,
+        pets_prefix: str = "0",
+        max_workers: int = 4,
+        default_overwrite: dict | None = None,
+    ) -> None:
+        """
+        Parameters:
+        branches: Experiment branch directory names; each string must match the regex provided in branch_pattern
+        post_base_path: where esmf-trace writes postprocessed outputs for this config
+        exact_paths: list of exact paths for each branch
+        model_component: comma-separated esmf component selector string.
+        branch_pattern: regex pattern to parse layout values, with capture groups for each layout variable
+        pets_components: list[str], keys to include in pets string in order
+        pets_prefix: str, prefix for pets string (default "0")
+        max_workers: number of parallel workers to use for postprocessing default 4 for login nodes
+        default_overwrite: Extra keys to merge into default_settings (eg {"timeseries_suffix": "_timeseries.json"}).
+        """
+        # core run list
+        self.branches = branches
+        self.exact_paths = [Path(p) for p in exact_paths]
+
+        # defaults
+        self.post_base_path = Path(post_base_path)
+        self.model_component = model_component
+        self.max_workers = max_workers
+
+        # pet configuration
+        self.branch_pattern = branch_pattern
+        self.pets_components = list(pets_components) if pets_components is not None else None
+        self.pets_prefix = pets_prefix
+
+        # default_settings
+        self.default_settings = dict(self.DEFAULT_SETTINGS)
+        if default_overwrite:
+            self.default_settings.update(default_overwrite)
+        self.default_settings["max_workers"] = self.max_workers
+
+        self._validate()
+
+    def _validate(self) -> None:
+        if not self.branches:
+            raise ValueError("At least one branch must be provided.")
+
+        if not isinstance(self.model_component, str) or not self.model_component:
+            raise ValueError("model_component must be a non-empty string.")
+
+        if not isinstance(self.max_workers, int) or self.max_workers < 1:
+            raise ValueError("max_workers must be an int >= 1")
+
+        if self.pets_components is not None and self.branch_pattern is None:
+            raise ValueError("branch_pattern must be provided if pets_components is provided.")
+
+    def _parse_layouts(self) -> list[dict[str, int]]:
+        """
+        Parse per branch layout values.
+
+        This is only used if pets_components is provided,
+        otherwise pets will be None and esmf-trace will use all pets in the traceout dir.
+
+        It returns one dict per branch, with keys from the named capture groups in the regex pattern and int values.
+        e.g.,
+            branch_pattern captures: (?P<shared>\\d+), (?P<ocn>\\d+)
+            branch: "..._shared_26_ocn_78" -> {"shared": 26, "ocn": 78}
+        """
+        # Collect one dict per branch
+        layouts: list[dict[str, int]] = []
+
+        for branch in self.branches:
+            match = self.branch_pattern.search(branch)
+            if not match:
+                raise ValueError(f"Branch name '{branch}' does not match the layout pattern.")
+
+            # layout extracted from this branch
+            layout = {name: int(value) for name, value in match.groupdict().items()}
+            layouts.append(layout)
+
+        return layouts
+
+    def _pets_for_layout(self, layout: dict[str, int]) -> str:
+        """
+        Build a PET string for a branch from a parsed layout value.
+
+        eg with pets_components = ['shared', 'ocn'] and pets_prefix = "0"
+        layout = {"shared": 26, "ocn": 78} -> "0,26,78"
+        """
+        # first element is the prefix
+        parts = [self.pets_prefix]
+        parts.extend(str(layout[comp]) for comp in self.pets_components)
+        return ",".join(parts)
+
+    def _build_pets_list(self) -> list[str]:
+        """
+        Return PET strings aligned with `branches`
+        """
+        layouts = self._parse_layouts()
+        return [self._pets_for_layout(layout) for layout in layouts]
+
+    def build_config(self) -> dict:
+        """
+        Build the config dict for esmf-trace from the provided information.
+
+        Output format:
+            {
+                "default_settings": {..},
+                "runs": [
+                    {
+                        "exact_path": "path/to/traceout",
+                        "base_prefix": "branch_name",
+                        "pets": "0,26,78",
+                    },
+                    ...
+            }
+        """
+        # pets are optional
+        # If pets_components is None, pets will be None in the config,
+        # and esmf-trace will use all pets in the traceout dir.
+        pets_list = self._build_pets_list() if self.pets_components is not None else None
+
+        runs: list[dict] = []
+        for i, branch in enumerate(self.branches):
+            run_item: dict = {
+                "exact_path": str(self.exact_paths[i]),
+                "base_prefix": branch,
+            }
+            if pets_list is not None:
+                run_item["pets"] = pets_list[i]
+            runs.append(run_item)
+
+        return {
+            "default_settings": {
+                "post_base_path": str(self.post_base_path),
+                "model_component": self.model_component,
+                **self.default_settings,
+            },
+            "runs": runs,
+        }
+
+
+class ACCESSPostSummaryConfigBuilder:
+    """
+    Build an esmf-trace post-summary config dict for ACCESS-style workflows.
+    """
+
+    def __init__(
+        self,
+        post_base_path: str | Path,
+        model_component: str | list[str] | None = None,
+        pets: str | list[int] | None = None,
+        stats_start_index: int | None = None,
+        stats_end_index: int | None = None,
+        save_json_path: str | Path | None = None,
+        timeseries_suffix: str = "_timeseries.json",
+        default_overwrite: dict | None = None,
+    ) -> None:
+        """
+        Initialise a builder for esmf-trace post-summary configuration for ACCESS-style workflows.
+        """
+        self.post_base_path = Path(post_base_path)
+        self.model_component = model_component
+        self.pets = pets
+        self.stats_start_index = stats_start_index
+        self.stats_end_index = stats_end_index
+        self.timeseries_suffix = timeseries_suffix
+        self.save_json_path = Path(save_json_path) if save_json_path is not None else None
+        self.default_overwrite = default_overwrite if default_overwrite is not None else {}
+
+        self._validate()
+
+    def _validate(self) -> None:
+        if not str(self.post_base_path):
+            raise ValueError("post_base_path must be a non-empty path string.")
+
+    def build_config(self, runs: list[dict]) -> dict:
+        """
+        Build the post-summary config dict.
+
+        minimum requirement per run:
+            - {"name": "branch_name"}
+        common fields all optional:
+            - pets: "0, 52" or [0, 52]
+            - model_component: list[str] or comma-separated str
+            - output_index: "1,3-5,6" or [1,3,4,5,6]
+            - stats_start_index: int
+            - stats_end_index: int
+            - save_json_path: str or Path, must end with .json
+        """
+        if not isinstance(runs, list) or len(runs) == 0:
+            raise ValueError("At least one run must be provided.")
+
+        default_settings: dict = {
+            "post_base_path": str(self.post_base_path),
+            "timeseries_suffix": self.timeseries_suffix,
+        }
+
+        if self.model_component is not None:
+            default_settings["model_component"] = (
+                self.model_component
+                if isinstance(self.model_component, list)
+                else [s.strip() for s in str(self.model_component).split(",") if s.strip()]
+            )
+        if self.pets is not None:
+            default_settings["pets"] = (
+                self.pets
+                if isinstance(self.pets, list)
+                else [s.strip() for s in str(self.pets).split(",") if s.strip()]
+            )
+        if self.stats_start_index is not None:
+            default_settings["stats_start_index"] = self.stats_start_index
+        if self.stats_end_index is not None:
+            default_settings["stats_end_index"] = self.stats_end_index
+        if self.save_json_path is not None:
+            default_settings["save_json_path"] = str(self.save_json_path)
+
+        default_settings.update(self.default_overwrite)
+
+        return {
+            "default_settings": default_settings,
+            "runs": runs,
+        }

src/access/esmf_trace/postprocess.py

@@ -212,7 +212,7 @@ def post_summary_from_yaml(
     runs: list[PostRunSettings],
     save_json_path: str | None = None,
 ) -> pd.DataFrame:
-    post_base_path: Path = defaults.post_base_path
+    post_base_path: Path = Path(defaults.post_base_path)
     timeseries_suffix: str = defaults.timeseries_suffix
 
     per_case_tables: list[pd.DataFrame] = []